7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C11H11F3N6OS — CID 138050532

IUPAC7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCN1CCn2c(CNc3nc(C(F)(F)F)cs3)nnc2C1=O
InChIInChI=1S/C11H11F3N6OS/c1-19-2-3-20-7(17-18-8(20)9(19)21)4-15-10-16-6(5-22-10)11(12,13)14/h5H,2-4H2,1H3,(H,15,16)
InChIKeyMAWZREGPLKKOIB-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.45
Rot. Bonds3

About 7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 138050532) has the molecular formula C11H11F3N6OS and a molecular weight of 332.31 g/mol. Its IUPAC name is 7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID138050532
Molecular FormulaC11H11F3N6OS
Molecular Weight332.31 g/mol
Exact Mass332.07
IUPAC Name7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCN1CCn2c(CNc3nc(C(F)(F)F)cs3)nnc2C1=O
InChIInChI=1S/C11H11F3N6OS/c1-19-2-3-20-7(17-18-8(20)9(19)21)4-15-10-16-6(5-22-10)11(12,13)14/h5H,2-4H2,1H3,(H,15,16)
InChIKeyMAWZREGPLKKOIB-UHFFFAOYSA-N
XLogP1.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 53585815
N-[4-[(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 53616742
N-[4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 56780115
2-methyl-N-((7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)thiazole-4-carboxamide
CID 121022025
7-Methyl-3-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 132391900
2-(5-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 140912410
3-[2-[4-(aminomethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,1,1-trifluoropropan-2-one
CID 165126844
(2-propan-2-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 56794271
1,3-thiazol-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64576207
(2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64576754
N-methyl-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]methanamine
CID 64578315
[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]methanamine
CID 64578316

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 138050532) is 7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CN1CCn2c(CNc3nc(C(F)(F)F)cs3)nnc2C1=O.
What is the InChIKey of 7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is MAWZREGPLKKOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6OS/c1-19-2-3-20-7(17-18-8(20)9(19)21)4-15-10-16-6(5-22-10)11(12,13)14/h5H,2-4H2,1H3,(H,15,16).
What are the key properties of 7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 332.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 138050532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).